[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone

C14H20ClN3O2 — CID 115315134

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(Cl)cn2C2CC2)CCO1
InChIInChI=1S/C14H20ClN3O2/c1-9(16)13-8-17(4-5-20-13)14(19)12-6-10(15)7-18(12)11-2-3-11/h6-7,9,11,13H,2-5,8,16H2,1H3
InChIKeyOEQSWBPXBDTJTK-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.66
Rot. Bonds3

About [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone (PubChem CID 115315134) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
PubChem CID115315134
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(Cl)cn2C2CC2)CCO1
InChIInChI=1S/C14H20ClN3O2/c1-9(16)13-8-17(4-5-20-13)14(19)12-6-10(15)7-18(12)11-2-3-11/h6-7,9,11,13H,2-5,8,16H2,1H3
InChIKeyOEQSWBPXBDTJTK-UHFFFAOYSA-N
XLogP1.66
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
(3-aminoazetidin-1-yl)-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 65244336
[2-(1-aminoethyl)morpholin-4-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 81484092
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974801
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
CID 98010838
[2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone
CID 115315137
[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 86780110
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone (CID 115315134) is [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone is CC(N)C1CN(C(=O)c2cc(Cl)cn2C2CC2)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone?
The InChIKey is OEQSWBPXBDTJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(16)13-8-17(4-5-20-13)14(19)12-6-10(15)7-18(12)11-2-3-11/h6-7,9,11,13H,2-5,8,16H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone has a molecular weight of 297.79 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone is sourced from PubChem (CID 115315134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).